>compound Bethanechol
>formula C7H16N2O2
>parentmass 161.128004366583
>charge 1

>ms1peaks
41.0388319600078 0.510676
59.0498873437667 4.30817
60.0815190916399 4.11934
100.112027496791 0.547262
102.055146824752 27.2653
161.128287496179 100.0
161.244660148762 0.601122

>collision 10.0
31.0182380805487 0.749503
41.038923209495 5.10912
59.0499615750948 32.5744
60.0814492142244 14.3651
85.088555434913 0.638424
100.111690884794 2.23526
102.055183712591 100.0
161.128004366583 43.0512

>collision 20.0
31.0178648970005 2.44697
41.0387608471226 23.7881
42.0360246281903 0.523
44.013249370978 1.64789
58.0662938209192 0.75916
58.9893180757621 0.521966
59.0498943070199 100.0
59.1214381664186 0.544373
60.0814485297188 11.8856
62.0255220529609 0.658808
70.066134716016 0.541851
85.0885194756903 2.43274
100.112685287034 3.70662
102.05516719506 60.9155
161.127624033393 0.786548

>collision 40.0
31.0183820758374 31.1009
39.0233197063917 11.3541
41.038818710788 100.0
42.0336181489354 6.41539
43.0182054561302 2.55565
43.0402974356042 1.66977
44.0141051033123 21.9785
44.0502230972575 6.56162
45.0577710188707 8.92577
56.0488615629129 0.598804
58.0660442916188 19.3579
58.9856670517933 0.603059
59.0498341316402 91.2501
60.0815981715876 22.3954
62.0241779858545 7.4555
62.9900468076722 0.871662
70.0656300773866 10.6692
84.0805392120775 9.88556
85.0890653982951 12.0686
100.111395783853 0.936546
102.054185892644 1.5558

